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Title: An improved variational approach to off-diagonal exciton-phonon coupling
Authors: Zhao, Yang
Li, Guangqi
Sun, Jin
Wang, Weihua
Keywords: DRNTU::Science::Physics::Atomic physics::Solid state physics
Issue Date: 2008
Source: Zhao, Y., Li, G., Sun, J., & Wang, W. (2008). An improved variational approach to off-diagonal exciton-phonon coupling. Journal of Chemical Physics, (129), 1-10.
Series/Report no.: Journal of chemical physics
Abstract: A state-of-the-art variational wave function incorporating Jastrow-type exciton-phonon correlations, the global-local Ansatz, is utilized to elucidate exciton-phonon correlations in a generalized form of the Holstein Hamiltonian with the simultaneous presence of diagonal and off-diagonal exciton-phonon coupling. Much lowered ground-state energies are found for the global-local Ansatz when compared with the previously studied Toyozawa Ansatz. A three-dimensional phase diagram spanned by the transfer integral and two forms of exciton-phonon coupling is given to illustrate polaronic self-trapping near the zone center.
DOI: 10.1063/1.2987364
Schools: School of Materials Science & Engineering 
Rights: © 2008 AIP. This paper was published in Journal of Chemical Physics and is made available as an electronic reprint (preprint) with permission of American Institute of Physics. The paper can be found at: [Doi:]. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper is prohibited and is subject to penalties under law.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

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